Molecule

ID:29621

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c1-5-11(2)15-10-12(3)17-14-9-7-6-8-13(14)16-4/h6-9,11-12,15H,5,10H2,1-4H3
InChIKey
PPVGEGCKQVFECF-UHFFFAOYSA-N
Canonic Smiles
CCC(NCC(Oc1ccccc1OC)C)C
Isomeric Smiles
c1(OC(CNC(CC)C)C)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20902765
LogD (pH = 7.4)
0.5480796
Log P
3.0059803
Molar Refractivity
69.819
Polarizability
27.94972
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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